[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

C15H18N4O — CID 103807625

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCNCC1CCCN1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H18N4O/c1-16-9-11-5-4-8-19(11)15(20)14-10-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3
InChIKeyGKOOKQDCRUZNOB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.45
Rot. Bonds3

About [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 103807625) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID103807625
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCNCC1CCCN1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H18N4O/c1-16-9-11-5-4-8-19(11)15(20)14-10-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3
InChIKeyGKOOKQDCRUZNOB-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807500
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807129
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649937
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (CID 103807625) is [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is CNCC1CCCN1C(=O)c1cnc2ccccc2n1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is GKOOKQDCRUZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-9-11-5-4-8-19(11)15(20)14-10-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 103807625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).